Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase Yes
Ligand
BDBM50322535
Substrate
n/a
Meas. Tech.
ChEMBL_2066526 (CHEMBL4721779)
IC50
0.890000±n/a nM
Citation
 Dart, ML; Machleidt, T; Jost, E; Schwinn, MK; Robers, MB; Shi, C; Kirkland, TA; Killoran, MP; Wilkinson, JM; Hartnett, JR; Zimmerman, K; Wood, KV Homogeneous Assay for Target Engagement Utilizing Bioluminescent Thermal Shift. ACS Med Chem Lett 9:546-551 (2018) [PubMed]  Article 
Target
Name:
Tyrosine-protein kinase Yes
Synonyms:
Proto-oncogene c-Yes | VHL/Tyrosine-protein kinase Yes | YES | YES1 | YES_HUMAN | p61-yes
Type:
Protein
Mol. Mass.:
60801.54
Organism:
Homo sapiens (Human)
Description:
P07947
Residue:
543
Sequence:
MGCIKSKENKSPAIKYRPENTPEPVSTSVSHYGAEPTTVSPCPSSSAKGTAVNFSSLSMTPFGGSSGVTPFGGASSSFSVVPSSYPAGLTGGVTIFVALYDYEARTTEDLSFKKGERFQIINNTEGDWWEARSIATGKNGYIPSNYVAPADSIQAEEWYFGKMGRKDAERLLLNPGNQRGIFLVRESETTKGAYSLSIRDWDEIRGDNVKHYKIRKLDNGGYYITTRAQFDTLQKLVKHYTEHADGLCHKLTTVCPTVKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTKVAIKTLKPGTMMPEAFLQEAQIMKKLRHDKLVPLYAVVSEEPIYIVTEFMSKGSLLDFLKEGDGKYLKLPQLVDMAAQIADGMAYIERMNYIHRDLRAANILVGENLVCKIADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILQTELVTKGRVPYPGMVNREVLEQVERGYRMPCPQGCPESLHELMNLCWKKDPDERPTFEYIQSFLEDYFTATEPQYQPGENL
  
Inhibitor
Name:
BDBM50322535
Synonyms:
3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide | 3-[2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide | CHEMBL1171837 | PONATINIB | US10464902, Ponatinib | US9255107, AP24534
Type:
Small organic molecule
Emp. Form.:
C29H27F3N6O
Mol. Mass.:
532.5595
SMILES:
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Structure:
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